Difference between revisions of "CPD-782"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-782 CPD-782] == * smiles: ** C([O-])(=O)CC1(C=CC(=C(C=1)O)O) * inchi key: ** InChIKey=CFFZD...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C([O-])(=O)CC1(C=CC(=C(C=1)O)O) | ** C([O-])(=O)CC1(C=CC(=C(C=1)O)O) | ||
| + | * molecular weight: | ||
| + | ** 167.141 | ||
* inchi key: | * inchi key: | ||
** InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-M | ** InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-M | ||
* common name: | * common name: | ||
** 3,4-dihydroxyphenylacetate | ** 3,4-dihydroxyphenylacetate | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3,4-dihydroxyphenylacetic acid | ** 3,4-dihydroxyphenylacetic acid | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC17612 | ||
* CAS : 102-32-9 | * CAS : 102-32-9 | ||
| − | |||
| − | |||
* HMDB : HMDB01336 | * HMDB : HMDB01336 | ||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573910.html 4573910] | ** [http://www.chemspider.com/Chemical-Structure.4573910.html 4573910] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17612 17612] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17612 17612] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C01161 C01161] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460350 5460350] | ||
{{#set: smiles=C([O-])(=O)CC1(C=CC(=C(C=1)O)O)}} | {{#set: smiles=C([O-])(=O)CC1(C=CC(=C(C=1)O)O)}} | ||
| + | {{#set: molecular weight=167.141 }} | ||
{{#set: inchi key=InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-M}} | {{#set: inchi key=InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-M}} | ||
{{#set: common name=3,4-dihydroxyphenylacetate}} | {{#set: common name=3,4-dihydroxyphenylacetate}} | ||
| − | |||
{{#set: common name=3,4-dihydroxyphenylacetic acid|homoprotocatechuate|dihydroxyphenylacetic acid}} | {{#set: common name=3,4-dihydroxyphenylacetic acid|homoprotocatechuate|dihydroxyphenylacetic acid}} | ||
{{#set: produced by=RXN6666-5}} | {{#set: produced by=RXN6666-5}} | ||
Latest revision as of 14:57, 9 January 2019
Contents
Metabolite CPD-782
- smiles:
- C([O-])(=O)CC1(C=CC(=C(C=1)O)O)
- molecular weight:
- 167.141
- inchi key:
- InChIKey=CFFZDZCDUFSOFZ-UHFFFAOYSA-M
- common name:
- 3,4-dihydroxyphenylacetate
- Synonym(s):
- 3,4-dihydroxyphenylacetic acid
- homoprotocatechuate
- dihydroxyphenylacetic acid
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC17612
- CAS : 102-32-9
- HMDB : HMDB01336
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"C([O-])(=O)CC1(C=CC(=C(C=1)O)O)" cannot be used as a page name in this wiki.
